SCHEMBL20187029

SCHEMBL20187029

O=C1N(c2ccccc2)CN(c2ccccc2)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.61
OPRM1 P35372 11/20 0.61
OPRD1 P41143 10/20 0.61
OPRK1 P41145 10/20 0.61
SIGMAR1 Q99720 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.52
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
DRD4 P21917 3/20 0.49
BDKRB2 P30411 1/20 0.48
CACNA1F O60840 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10736163 0.87 OPRL1 (0.59) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL20187041 0.87 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL10734152 0.85 DRD2 (0.65) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL20187024 0.84 MEN1 (0.63) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL20187043 0.80 DDR1 (0.57) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL20187081 0.80 DDR1 (0.59) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL20187136 0.78 MEN1 (0.66) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL28581526 0.78 BDKRB2 (0.56) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL5420730 0.77 EGLN1 (0.58) OPRL1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL7847623 0.76 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.